Data quality metrics extracted from 5p9j.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "cbe667df05b529f5001bc2615155b162",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 72.25,
    "b": 104.61,
    "c": 38.10,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.305,1.050],
    "number_observations": 611160,
    "number_observations_unique": 103855,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.088
      },
      {
        "type": "R(meas)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 10.630
      },
      {
        "type": "Completeness",
        "value": 75.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.110,1.050],
      "number_observations": 8543,
      "number_observations_unique": 4190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.882
        },
        {
          "type": "R(meas)",
          "value": 3.651
        },
        {
          "type": "I/SigI",
          "value": 0.270
        },
        {
          "type": "Completeness",
          "value": 19.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.104
        }
      ]
    },
    {
      "resolution_limits": [1.180,1.110],
      "number_observations": 41617,
      "number_observations_unique": 10217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.989
        },
        {
          "type": "R(meas)",
          "value": 3.419
        },
        {
          "type": "I/SigI",
          "value": 0.430
        },
        {
          "type": "Completeness",
          "value": 49.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.318
        }
      ]
    },
    {
      "resolution_limits": [1.280,1.180],
      "number_observations": 93363,
      "number_observations_unique": 15971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.217
        },
        {
          "type": "R(meas)",
          "value": 2.430
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 83.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.676
        }
      ]
    },
    {
      "resolution_limits": [1.400,1.280],
      "number_observations": 108048,
      "number_observations_unique": 16897,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.286
        },
        {
          "type": "R(meas)",
          "value": 1.399
        },
        {
          "type": "I/SigI",
          "value": 1.570
        },
        {
          "type": "Completeness",
          "value": 95.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.906
        }
      ]
    },
    {
      "resolution_limits": [1.570,1.400],
      "number_observations": 103299,
      "number_observations_unique": 15720,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.635
        },
        {
          "type": "R(meas)",
          "value": 0.688
        },
        {
          "type": "I/SigI",
          "value": 3.470
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [1.810,1.570],
      "number_observations": 91275,
      "number_observations_unique": 13990,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.274
        },
        {
          "type": "R(meas)",
          "value": 0.298
        },
        {
          "type": "I/SigI",
          "value": 7.840
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.220,1.810],
      "number_observations": 76242,
      "number_observations_unique": 12010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "R(meas)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 18.910
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.130,2.220],
      "number_observations": 57218,
      "number_observations_unique": 9433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 36.200
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [52.305,3.130],
      "number_observations": 31555,
      "number_observations_unique": 5427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 60.190
        },
        {
          "type": "Completeness",
          "value": 99.100
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):

  Overall InnerShell OuterShell
Low resolution limit [Å] 52.305 52.305 1.180
High resolution limit [Å] 1.050 3.130 1.110
R(merge) 0.0880 0.0240 2.9890
R(meas) 0.0960 0.0260 3.4190
CC(1/2) 0.999 - 0.318
Completeness [%] 75.7 99.1 49.4


Binned data generated from MXLIMS-JSON (via JavaScript):

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%]
52.305-3.130 0.0240 0.0260 - 99.1
3.130-2.220 0.0470 0.0510 0.999 99.1
2.220-1.810 0.1030 0.1120 0.999 98.9
1.810-1.570 0.2740 0.2980 0.996 97.8
1.570-1.400 0.6350 0.6880 0.977 97.5
1.400-1.280 1.2860 1.3990 0.906 95.1
1.280-1.180 2.2170 2.4300 0.676 83.0
1.180-1.110 2.9890 3.4190 0.318 49.4
1.110-1.050 2.8820 3.6510 0.104 19.1